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MedKoo Cat#: 125149 | Name: Trigonelline tosylate

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Trigonelline is a pyridine derivative known to contribute indirectly to the formation of desirable flavor products, including furans, pyrazine, alkyl-pyridines, and pyrroles, during coffee roasting.

Chemical Structure

Trigonelline tosylate
Trigonelline tosylate
CAS#60388-20-7 (tosylate)

Theoretical Analysis

MedKoo Cat#: 125149

Name: Trigonelline tosylate

CAS#: 60388-20-7 (tosylate)

Chemical Formula: C14H15NO5S

Exact Mass: 309.0700

Molecular Weight: 309.34

Elemental Analysis: C, 54.36; H, 4.89; N, 4.53; O, 25.86; S, 10.36

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
60388-20-7 (tosylate) 6138-41-6 (HCl)
Synonym
60388-20-7; Pyridinium, 3-carboxy-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:1); 3-Carboxy-1-methylpyridinium toluene-p-sulphonate; T63236EG5C; trigonelline tosylate
IUPAC/Chemical Name
3-carboxy-1-methylpyridin-1-ium 4-methylbenzenesulfonate
InChi Key
WHOCGBIEBJQMMS-UHFFFAOYSA-N
InChi Code
InChI=1S/C7H7NO2.C7H8O3S/c1-8-4-2-3-6(5-8)7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)
SMILES Code
C[N+]1=CC(=CC=C1)C(O)=O.CC2=CC=C(C=C2)S([O-])(=O)=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 309.34 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL